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ASINEX-ZINC00223523

 MMsINC code: MMs00094051
Type: Neutral
Formula: C18H15N3O3
SMILES:   OC=1c2c3N(CCc3ccc2)C(=O)C=1C(=O)Nc1nc(ccc1)C
InChI:   InChI=1/C18H15N3O3/c1-10-4-2-7-13(19-10)20-17(23)14-16(22)12-6-3-5-11-8-9-21(15(11)12)18(14)24/h2-7,22H,8-9H2,1H3,(H,19,20,23)

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Potential Energy
Epot(MMFF94)=82.8825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.336 g/mol  logS: -3.33968  SlogP: 2.20049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0446262  Sterimol/B1: 2.44842  Sterimol/B2: 3.5477  Sterimol/B3: 4.50321
  Sterimol/B4: 5.75616  Sterimol/L: 16.4553 
 
 Surface and Volume Properties
  Accessible surface: 543.856  Positive charged surface: 336.338  Negative charged surface: 207.518  Volume: 292.25
  Hydrophobic surface: 420.77  Hydrophilic surface: 123.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.